Effects of Epitaxial Strain on Antiferrodistortion of AgNbO3 from First‐Principle Calculations

In this letter, structural phase transition induced by epitaxial strain in AgNbO 3 is studied using first‐principles calculations. It is found that the antiferrodistortion is misfit‐dependent. The antiferrodistortion instability can be enhanced by in‐plane lattice strain. The excellent antiferroelectric properties can be obtained by using compressive strain engineering.